Information card for entry 2205975
| Chemical name |
1,3,5-Tris(2-isopropylphenoxymethyl)benzene |
| Formula |
C36 H42 O3 |
| Calculated formula |
C36 H42 O3 |
| SMILES |
c1(cc(cc(c1)COc1ccccc1C(C)C)COc1ccccc1C(C)C)COc1ccccc1C(C)C |
| Title of publication |
1,3,5-Tris(2-isopropylphenoxymethyl)benzene |
| Authors of publication |
Deveci, Özlem; Işık, Şamil; Akdemir, Nesuhi; Kantar, Cihan; Ağar, Erbil |
| Journal of publication |
Acta Crystallographica Section E |
| Year of publication |
2005 |
| Journal volume |
61 |
| Journal issue |
6 |
| Pages of publication |
o1724 - o1725 |
| a |
9.3172 ± 0.0007 Å |
| b |
11.5055 ± 0.0009 Å |
| c |
16.3424 ± 0.0013 Å |
| α |
104.677 ± 0.006° |
| β |
105.307 ± 0.006° |
| γ |
103.098 ± 0.006° |
| Cell volume |
1551.6 ± 0.2 Å3 |
| Cell temperature |
298 ± 2 K |
| Ambient diffraction temperature |
298 ± 2 K |
| Number of distinct elements |
3 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.1135 |
| Residual factor for significantly intense reflections |
0.0463 |
| Weighted residual factors for significantly intense reflections |
0.1184 |
| Weighted residual factors for all reflections included in the refinement |
0.1406 |
| Goodness-of-fit parameter for all reflections included in the refinement |
0.845 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
Yes |
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